2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid

C13H13N3O3S — CID 62489746

IUPAC2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)Nc1nccs1)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H13N3O3S/c1-13(10(17)18,9-5-3-2-4-6-9)16-11(19)15-12-14-7-8-20-12/h2-8H,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyKGUFQEAWFWIICN-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.26
Rot. Bonds4

About 2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid

2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid (PubChem CID 62489746) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
PubChem CID62489746
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)Nc1nccs1)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H13N3O3S/c1-13(10(17)18,9-5-3-2-4-6-9)16-11(19)15-12-14-7-8-20-12/h2-8H,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyKGUFQEAWFWIICN-UHFFFAOYSA-N
XLogP2.26
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82508901
2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 62487672
2,2-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 115428250
2-methyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoic acid;trifluoromethylbenzene
CID 88598154
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CID 143671145
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid
CID 61266713
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid (CID 62489746) is 2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid is CC(NC(=O)Nc1nccs1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid?
The InChIKey is KGUFQEAWFWIICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-13(10(17)18,9-5-3-2-4-6-9)16-11(19)15-12-14-7-8-20-12/h2-8H,1H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid?
2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid has a molecular weight of 291.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 62489746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).